SCHEMBL15944486

SCHEMBL15944486

CCCCNC(=O)C(C)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ACHE P22303 14/20 0.48
DPP7 Q9UHL4 2/20 0.43
EPHX1 P07099 2/20 0.42
MMP8 P22894 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11318107 0.82 ACHE (0.42) TSHRACHEDPP7EPHX1MMP8
SCHEMBL27991817 0.79 FNTA (0.49) ACHEDPP7EPHX1MMP8
SCHEMBL12527171 0.77 ACHE (0.44) TSHRACHEDPP7EPHX1MMP8
SCHEMBL10769236 0.76 EPHX1 (0.61) DPP7EPHX1MMP8
SCHEMBL11371693 0.76 TSHR (0.48) TSHRDPP7EPHX1MMP8
SCHEMBL224484 0.76 EPHX1 (0.52) ACHEDPP7EPHX1MMP8
SCHEMBL20987593 0.76 EGLN1 (0.53) MMP8
SCHEMBL4427947 0.75 ALDH1A1 (0.34) TSHRMMP8
SCHEMBL8815679 0.74 MEN1 (0.55) ACHEDPP7EPHX1MMP8
SCHEMBL8374607 0.74 EPHX1 (0.50) ACHEDPP7EPHX1MMP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056817-B2 Arylated β-dicarbonyl compounds and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-06-16 US disclosed
US-20140228592-A1 ARYLATED BETA-DICARBONYL COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140228592-A1 ARYLATED BETA-DICARBONYL COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF CYP51A1, DDT, CYP3A4 TSHR 4210/4885ACHE 748/4885DPP7 48/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.